Geometry & MOs

Info

ID:	335116
PubChem CID:	127253977
Reduced:	ClN2O9H25C26 (1)
Stoich.:	AB2C9D25E26 (1)
Weight, g/mol:	425.147452
ΔH_f, kcal/mol:	-301.46
Dipole, Da:	8.74
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-(3-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=CC(=C4)C(=O)NCC(=O)O)OC

DOS

IR

Vibrations